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Home Carboxys Methyl 5-amino-1-benzothiophene-2-carboxylate

Methyl 5-amino-1-benzothiophene-2-carboxylate

CAS No.:
20699-85-8
Catalog Number:
AG002ISN
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$250
- +
10g
98%
In Stock USA
United States
$400
- +
25g
98%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG002ISN
Chemical Name:
Methyl 5-amino-1-benzothiophene-2-carboxylate
CAS Number:
20699-85-8
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.2490
MDL Number:
MFCD04123924
IUPAC Name:
methyl 5-amino-1-benzothiophene-2-carboxylate
InChI:
InChI=1S/C10H9NO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,11H2,1H3
InChI Key:
SIMBULBEQVHFPK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(s1)ccc(c2)N
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.247g/mol
Monoisotopic Mass:
207.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Antistaphylococcal activity of DNA-interactive pyrrolobenzodiazepine (PBD) dimers and PBD-biaryl conjugates. The Journal of antimicrobial chemotherapy 20120701
Properties